#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dn4 s SER 2 N 0.00 1.85 0.09 1.61 0.01 -1.26 -5.16 113.70 110.84 2dn4 s SER 2 Ca 0.00 -0.89 0.03 0.00 1.31 0.00 0.00 55.95 56.40 2dn4 s SER 2 Cb 0.00 -0.04 -0.03 0.00 0.21 0.00 0.00 66.02 66.16 2dn4 s SER 2 CO 0.00 -0.23 -0.10 -0.94 0.41 0.00 0.00 173.24 172.38 2dn4 s SER 3 N -2.74 1.34 0.00 2.44 1.04 -1.26 -5.10 113.70 109.42 2dn4 s SER 3 Ca 0.12 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 55.77 2dn4 s SER 3 Cb -0.02 0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.12 2dn4 s SER 3 CO 0.02 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.59 2dn4 n GLY 4 N 0.68 0.86 0.50 7.32 0.00 -1.26 -5.02 105.19 108.27 2dn4 n GLY 4 Ca -0.17 0.27 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 2dn4 n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2dn4 h SER 5 N 0.00 -1.06 -3.58 1.61 0.87 -2.09 -3.48 113.55 105.81 2dn4 h SER 5 Ca 0.00 0.04 0.33 0.00 -1.23 0.00 0.00 61.79 60.92 2dn4 h SER 5 Cb 0.00 0.28 -0.15 0.00 -0.44 0.00 0.00 62.40 62.08 2dn4 h SER 5 CO 0.00 -0.75 -0.97 -1.20 -0.53 0.00 0.00 176.83 173.38 2dn4 n SER 6 N -5.63 -7.54 0.00 6.23 7.64 -1.26 -5.08 113.62 107.98 2dn4 n SER 6 Ca -0.16 1.10 0.00 0.00 1.01 0.00 0.00 58.87 60.82 2dn4 n SER 6 Cb 0.50 -4.35 0.00 0.00 -1.01 0.00 0.00 64.21 59.35 2dn4 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dn4 n GLY 7 N -4.14 0.92 0.10 0.23 0.00 -1.26 -4.96 105.19 96.08 2dn4 n GLY 7 Ca -0.06 -0.98 -0.03 0.00 0.00 0.00 0.00 46.02 44.96 2dn4 n GLY 7 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2dn4 h LEU 8 N 0.00 -0.47 -0.95 0.99 3.38 -1.98 0.88 115.31 117.16 2dn4 h LEU 8 Ca 0.00 0.07 0.10 0.00 0.09 0.00 0.00 57.88 58.14 2dn4 h LEU 8 Cb 0.00 0.21 -0.13 0.00 0.09 0.00 0.00 40.66 40.83 2dn4 h LEU 8 CO 0.00 -0.06 -0.50 -1.14 0.09 0.00 0.00 178.44 176.82 2dn4 n ARG 9 N -3.45 -0.36 -0.16 1.13 0.63 -1.26 0.11 116.66 113.29 2dn4 n ARG 9 Ca 0.00 1.45 -0.02 0.00 -0.92 0.00 0.00 57.85 58.36 2dn4 n ARG 9 Cb 0.06 -2.13 0.07 0.00 0.45 0.00 0.00 32.46 30.91 2dn4 n ARG 9 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 2dn4 h LYS 10 N 0.00 0.20 -0.24 -0.14 3.64 -1.44 1.33 116.57 119.92 2dn4 h LYS 10 Ca 0.21 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.63 2dn4 h LYS 10 Cb 0.44 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.16 2dn4 h LYS 10 CO -0.91 0.13 -0.14 1.96 -2.27 0.00 0.00 179.45 178.22 2dn4 h GLN 11 N 0.20 -0.11 -0.24 1.90 4.20 0.80 0.32 115.11 122.17 2dn4 h GLN 11 Ca 0.26 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.94 2dn4 h GLN 11 Cb 0.36 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 2dn4 h GLN 11 CO -0.36 -0.08 0.02 0.28 -0.67 0.00 0.00 178.83 178.02 2dn4 h VAL 12 N -0.12 1.24 -0.39 -0.54 2.07 0.92 0.26 116.25 119.70 2dn4 h VAL 12 Ca 0.13 -0.84 0.08 0.00 0.82 0.00 0.00 66.70 66.90 2dn4 h VAL 12 Cb 0.32 1.32 -0.09 0.00 -1.52 0.00 0.00 31.29 31.32 2dn4 h VAL 12 CO -0.31 0.26 -0.22 -0.33 0.02 0.00 0.00 177.57 176.99 2dn4 h GLU 13 N 0.20 -0.15 -0.41 1.57 5.08 0.24 1.64 114.58 122.76 2dn4 h GLU 13 Ca 0.07 0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.31 2dn4 h GLU 13 Cb 0.37 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2dn4 h GLU 13 CO 0.01 -0.10 -0.27 0.93 -1.00 0.00 0.00 179.01 178.58 2dn4 h GLU 14 N -0.15 0.86 0.51 2.33 4.39 -0.28 -2.79 114.58 119.45 2dn4 h GLU 14 Ca 0.19 -0.38 -0.03 0.00 0.34 0.00 0.00 59.36 59.48 2dn4 h GLU 14 Cb 0.45 -0.02 0.01 0.00 -0.10 0.00 0.00 28.75 29.08 2dn4 h GLU 14 CO -0.48 1.02 -0.25 1.25 -1.16 0.00 0.00 179.01 179.39 2dn4 h LEU 15 N 0.73 -0.58 -0.48 1.33 5.85 0.11 0.16 115.31 122.43 2dn4 h LEU 15 Ca 0.09 -0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.84 2dn4 h LEU 15 Cb 0.82 0.15 -0.08 0.00 0.37 0.00 0.00 40.66 41.92 2dn4 h LEU 15 CO 0.07 -0.35 -0.52 -0.26 -0.34 0.00 0.00 178.44 177.04 2dn4 h PHE 16 N -0.78 -1.60 -0.24 1.25 -1.00 0.23 0.10 116.94 114.90 2dn4 h PHE 16 Ca -0.07 0.08 0.04 0.00 2.81 0.00 0.00 57.97 60.83 2dn4 h PHE 16 Cb 0.57 0.76 -0.04 0.00 3.61 0.00 0.00 35.95 40.85 2dn4 h PHE 16 CO -0.02 -0.43 -0.01 0.93 -1.61 0.00 0.00 178.31 177.17 2dn4 h GLU 17 N -0.30 0.06 -0.56 1.51 5.08 -1.47 -2.42 114.58 116.48 2dn4 h GLU 17 Ca 0.08 -0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.49 2dn4 h GLU 17 Cb 0.52 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.67 2dn4 h GLU 17 CO -0.61 0.04 -0.45 0.00 -1.00 0.00 0.00 179.01 177.00 2dn4 h ARG 18 N 0.07 -0.14 -0.28 2.33 2.47 0.76 1.26 114.38 120.84 2dn4 h ARG 18 Ca 0.11 0.01 0.04 0.00 -1.26 0.00 0.00 59.98 58.88 2dn4 h ARG 18 Cb 0.15 0.03 -0.07 0.00 -1.65 0.00 0.00 29.97 28.43 2dn4 h ARG 18 CO -0.20 -0.09 -0.51 0.87 0.56 0.00 0.00 179.97 180.60 2dn4 h LYS 19 N -0.15 -0.42 -0.61 0.04 1.79 -0.79 0.90 116.57 117.33 2dn4 h LYS 19 Ca 0.09 0.03 0.13 0.00 -2.18 0.00 0.00 60.65 58.72 2dn4 h LYS 19 Cb 0.39 0.10 -0.10 0.00 -1.58 0.00 0.00 32.23 31.04 2dn4 h LYS 19 CO -0.61 -0.28 0.04 -0.92 -1.08 0.00 0.00 179.45 176.60 2dn4 h TYR 20 N -0.44 0.04 -1.00 -1.35 3.20 -0.69 0.28 116.97 117.02 2dn4 h TYR 20 Ca 0.05 0.04 0.02 0.00 3.14 0.00 0.00 58.73 61.98 2dn4 h TYR 20 Cb 0.58 0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.88 2dn4 h TYR 20 CO -0.67 -0.13 0.66 0.00 -1.64 0.00 0.00 178.16 176.39 2dn4 h ALA 21 N 1.54 1.31 -0.50 1.82 0.00 0.33 -1.87 119.26 121.89 2dn4 h ALA 21 Ca 0.32 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 2dn4 h ALA 21 Cb 0.52 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2dn4 h ALA 21 CO -0.49 0.62 0.26 1.96 0.00 0.00 0.00 179.25 181.60 2dn4 h GLN 22 N 1.32 0.71 0.00 0.00 4.20 0.40 1.80 115.11 123.54 2dn4 h GLN 22 Ca 0.38 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.99 2dn4 h GLN 22 Cb -0.10 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.55 2dn4 h GLN 22 CO -0.09 0.58 0.05 0.00 -0.67 0.00 0.00 178.83 178.69 2dn4 h ALA 23 N 1.10 1.05 0.00 3.87 0.00 0.02 0.27 119.26 125.57 2dn4 h ALA 23 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2dn4 h ALA 23 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2dn4 h ALA 23 CO -0.02 -0.05 -0.04 0.44 0.00 0.00 0.00 179.25 179.57 2dn4 n ILE 24 N -2.97 1.34 -4.05 0.00 -5.35 -0.22 -5.00 119.36 103.11 2dn4 n ILE 24 Ca -0.03 -1.54 -0.45 0.00 -0.27 0.00 0.00 62.75 60.47 2dn4 n ILE 24 Cb 0.12 0.14 0.02 0.00 -1.74 0.00 0.00 39.64 38.17 2dn4 n ILE 24 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 2dn4 n LYS 25 N -0.93 -0.37 -3.72 6.28 5.02 0.46 -4.90 118.16 120.00 2dn4 n LYS 25 Ca 0.08 0.11 -0.37 0.00 -2.02 0.00 0.00 58.31 56.11 2dn4 n LYS 25 Cb 0.50 -2.72 -0.12 0.00 -0.02 0.00 0.00 35.03 32.67 2dn4 n LYS 25 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2dn4 s ALA 26 N -3.56 3.23 -0.39 7.82 0.00 0.50 -4.95 121.76 124.41 2dn4 s ALA 26 Ca 0.47 -1.15 0.05 0.00 0.00 0.00 0.00 51.96 51.34 2dn4 s ALA 26 Cb -0.25 -2.17 0.46 0.00 0.00 0.00 0.00 23.12 21.16 2dn4 s ALA 26 CO 0.96 -0.53 1.44 0.36 0.00 0.00 0.00 175.76 177.99 2dn4 n LYS 27 N 4.95 2.51 -4.20 0.00 2.85 -1.26 -4.56 118.16 118.45 2dn4 n LYS 27 Ca -0.16 -1.90 -0.12 0.00 -1.05 0.00 0.00 58.31 55.08 2dn4 n LYS 27 Cb 0.51 -1.84 -0.10 0.00 -0.65 0.00 0.00 35.03 32.95 2dn4 n LYS 27 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2dn4 s GLY 28 N -0.45 1.45 -0.23 2.58 0.00 -1.26 -5.12 107.32 104.29 2dn4 s GLY 28 Ca 0.35 -1.70 -0.29 0.00 0.00 0.00 0.00 44.72 43.07 2dn4 s GLY 28 CO 0.08 -1.41 1.31 2.56 0.00 0.00 0.00 173.10 175.64 2dn4 s PRO 29 N -4.15 4.05 0.30 2.90 0.04 -1.26 -4.94 135.00 131.95 2dn4 s PRO 29 Ca 0.39 1.48 0.09 0.00 0.04 0.00 0.00 61.00 62.99 2dn4 s PRO 29 Cb 0.07 -3.84 -0.04 0.00 0.04 0.00 0.00 34.50 30.73 2dn4 s PRO 29 CO 0.12 -0.94 0.10 0.14 0.04 0.00 0.00 177.00 176.45 2dn4 s VAL 30 N 4.03 3.32 -0.06 -0.36 -7.23 -1.26 -4.19 120.40 114.64 2dn4 s VAL 30 Ca 0.57 -1.74 -0.03 0.00 -1.81 0.00 0.00 61.98 58.96 2dn4 s VAL 30 Cb -0.20 -2.97 -0.04 0.00 0.56 0.00 0.00 36.38 33.73 2dn4 s VAL 30 CO 0.20 -0.27 0.08 -0.89 -0.31 0.00 0.00 175.10 173.91 2dn4 s THR 31 N -2.36 4.90 -0.29 5.32 2.01 -1.26 -4.85 115.64 119.10 2dn4 s THR 31 Ca 0.35 -0.17 -0.13 0.00 0.31 0.00 0.00 61.69 62.05 2dn4 s THR 31 Cb -0.04 -3.17 -0.04 0.00 0.01 0.00 0.00 72.50 69.26 2dn4 s THR 31 CO 0.22 0.50 0.28 -0.63 -0.69 0.00 0.00 174.62 174.29 2dn4 s ILE 32 N -1.07 5.24 -0.44 1.82 1.01 -1.26 -5.03 121.20 121.47 2dn4 s ILE 32 Ca 0.18 0.23 -0.29 0.00 0.00 0.00 0.00 60.65 60.78 2dn4 s ILE 32 Cb -0.12 -3.65 0.01 0.00 0.01 0.00 0.00 42.46 38.71 2dn4 s ILE 32 CO 0.08 0.14 1.43 -2.16 0.00 0.00 0.00 174.94 174.43 2dn4 s PRO 33 N 1.89 3.51 0.10 2.79 0.04 -1.26 -4.87 135.00 137.20 2dn4 s PRO 33 Ca 0.10 0.86 -0.03 0.00 0.04 0.00 0.00 61.00 61.98 2dn4 s PRO 33 Cb -0.16 -4.05 -0.21 0.00 0.04 0.00 0.00 34.50 30.12 2dn4 s PRO 33 CO 0.11 -1.65 1.21 1.88 0.04 0.00 0.00 177.00 178.58 2dn4 h TYR 34 N 10.89 0.45 0.00 0.56 0.05 -1.99 -3.17 116.97 123.76 2dn4 h TYR 34 Ca -0.27 -0.30 0.00 0.00 0.05 0.00 0.00 58.73 58.20 2dn4 h TYR 34 Cb 1.11 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.82 2dn4 h TYR 34 CO 0.98 1.20 0.00 -0.35 -1.05 0.00 0.00 178.16 178.94 2dn4 n PRO 35 N -3.57 0.00 -0.31 4.88 -0.04 -1.26 -2.49 135.00 132.21 2dn4 n PRO 35 Ca -0.07 0.50 -0.01 0.00 -0.04 0.00 0.00 63.50 63.88 2dn4 n PRO 35 Cb 0.96 -1.12 0.03 0.00 -0.04 0.00 0.00 33.50 33.32 2dn4 n PRO 35 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2dn4 n LEU 36 N -1.99 -0.53 -0.16 1.53 4.77 -1.26 0.20 117.00 119.55 2dn4 n LEU 36 Ca 0.00 1.38 -0.02 0.00 -0.03 0.00 0.00 56.01 57.34 2dn4 n LEU 36 Cb 0.00 -0.31 0.06 0.00 -2.33 0.00 0.00 43.42 40.84 2dn4 n LEU 36 CO 0.00 -1.24 0.85 -0.26 -1.33 0.00 0.00 177.39 175.41 2dn4 h PHE 37 N 0.00 -0.01 -0.24 -1.77 -1.00 -1.68 0.46 116.94 112.70 2dn4 h PHE 37 Ca 0.27 0.04 0.07 0.00 2.81 0.00 0.00 57.97 61.15 2dn4 h PHE 37 Cb 0.47 0.08 -0.01 0.00 3.61 0.00 0.00 35.95 40.10 2dn4 h PHE 37 CO -0.70 -0.10 0.18 1.96 -1.61 0.00 0.00 178.31 178.04 2dn4 h GLN 38 N 0.13 0.00 0.00 1.51 1.08 0.25 0.26 115.11 118.35 2dn4 h GLN 38 Ca 0.25 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.32 2dn4 h GLN 38 Cb 0.38 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.79 2dn4 h GLN 38 CO -0.41 0.00 -0.90 1.03 -0.95 0.00 0.00 178.83 177.61 2dn4 h SER 39 N 0.00 0.00 -2.13 1.46 0.87 0.15 -3.38 113.55 110.52 2dn4 h SER 39 Ca 0.11 0.00 -0.58 0.00 -1.23 0.00 0.00 61.79 60.09 2dn4 h SER 39 Cb 0.48 0.00 -0.40 0.00 -0.44 0.00 0.00 62.40 62.04 2dn4 h SER 39 CO -0.00 0.53 -0.88 1.41 -0.53 0.00 0.00 176.83 177.36 2dn4 n HIS 40 N -3.08 1.32 1.06 2.24 8.25 0.12 -4.86 115.22 120.28 2dn4 n HIS 40 Ca -0.03 -3.81 0.13 0.00 -0.26 0.00 0.00 57.72 53.75 2dn4 n HIS 40 Cb 0.78 -0.41 0.48 0.00 1.12 0.00 0.00 29.99 31.95 2dn4 n HIS 40 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 2dn4 n VAL 41 N 1.28 0.00 1.24 1.59 0.24 -0.00 -0.65 118.33 122.02 2dn4 n VAL 41 Ca 0.25 -0.01 0.13 0.00 -2.04 0.00 0.00 64.34 62.67 2dn4 n VAL 41 Cb 0.47 -0.15 0.36 0.00 -1.47 0.00 0.00 33.84 33.06 2dn4 n VAL 41 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2dn4 n GLU 42 N -1.42 0.88 0.08 7.34 1.02 -1.26 -4.50 120.64 122.77 2dn4 n GLU 42 Ca 0.08 -0.53 0.00 0.00 -0.02 0.00 0.00 57.16 56.69 2dn4 n GLU 42 Cb 0.33 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 2dn4 n GLU 42 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2dn4 n ASP 43 N -0.60 0.68 -4.60 1.62 8.00 -1.17 -4.99 116.55 115.49 2dn4 n ASP 43 Ca 0.12 0.24 -0.38 0.00 0.71 0.00 0.00 54.79 55.48 2dn4 n ASP 43 Cb 0.35 -0.10 -0.10 0.00 -0.02 0.00 0.00 41.12 41.25 2dn4 n ASP 43 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2dn4 s LEU 44 N -6.92 4.04 -0.04 0.64 1.43 0.17 -2.20 118.68 115.80 2dn4 s LEU 44 Ca 0.00 0.10 -0.29 0.00 -1.03 0.00 0.00 54.13 52.91 2dn4 s LEU 44 Cb 0.00 -2.21 0.10 0.00 0.03 0.00 0.00 46.19 44.11 2dn4 s LEU 44 CO 0.00 -0.07 0.86 -0.72 0.23 0.00 0.00 176.35 176.65 2dn4 s TYR 45 N 1.75 -0.41 -0.13 0.29 1.13 -1.11 -4.00 117.35 114.87 2dn4 s TYR 45 Ca 0.10 0.46 -0.09 0.00 -1.41 0.00 0.00 57.07 56.13 2dn4 s TYR 45 Cb -0.16 0.50 -0.04 0.00 -1.10 0.00 0.00 41.96 41.16 2dn4 s TYR 45 CO 0.10 -0.52 0.16 0.08 -2.51 0.00 0.00 175.55 172.86 2dn4 s VAL 46 N -2.37 5.44 0.36 -3.49 1.01 -1.26 -1.68 120.40 118.40 2dn4 s VAL 46 Ca 0.01 0.27 0.02 0.00 0.00 0.00 0.00 61.98 62.27 2dn4 s VAL 46 Cb -0.01 -3.45 -0.01 0.00 0.00 0.00 0.00 36.38 32.91 2dn4 s VAL 46 CO -0.04 0.56 0.08 -0.62 0.00 0.00 0.00 175.10 175.08 2dn4 n GLU 47 N 2.43 0.78 -0.91 2.72 1.02 0.46 -4.77 120.64 122.36 2dn4 n GLU 47 Ca -0.18 -2.85 0.00 0.00 -0.02 0.00 0.00 57.16 54.11 2dn4 n GLU 47 Cb 0.54 1.26 0.00 0.00 -0.02 0.00 0.00 31.44 33.22 2dn4 n GLU 47 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dn4 n GLY 48 N -0.08 0.72 3.77 0.62 0.00 -1.25 0.96 105.19 109.93 2dn4 n GLY 48 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 2dn4 n GLY 48 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dn4 s LEU 49 N 0.00 3.41 0.00 0.99 1.43 -1.26 -2.74 118.68 120.51 2dn4 s LEU 49 Ca 0.00 1.99 -0.09 0.00 -1.03 0.00 0.00 54.13 54.99 2dn4 s LEU 49 Cb 0.00 -4.55 0.13 0.00 0.03 0.00 0.00 46.19 41.80 2dn4 s LEU 49 CO 0.00 -1.56 0.61 -0.81 0.23 0.00 0.00 176.35 174.82 2dn4 n PRO 50 N -2.34 -1.36 -2.99 1.29 -0.04 -1.26 -5.00 135.00 123.30 2dn4 n PRO 50 Ca 0.10 -0.96 -0.39 0.00 -0.04 0.00 0.00 63.50 62.21 2dn4 n PRO 50 Cb 0.52 -0.76 -0.06 0.00 -0.04 0.00 0.00 33.50 33.17 2dn4 n PRO 50 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2dn4 s GLU 51 N -4.36 4.54 -0.90 0.54 2.02 -1.26 -3.68 118.70 115.60 2dn4 s GLU 51 Ca 0.37 1.13 -0.00 0.00 0.02 0.00 0.00 54.97 56.49 2dn4 s GLU 51 Cb -0.02 -3.27 0.00 0.00 0.10 0.00 0.00 34.13 30.93 2dn4 s GLU 51 CO 0.27 0.54 0.01 0.41 0.02 0.00 0.00 175.26 176.50 2dn4 n GLY 52 N 1.70 -0.06 2.85 -1.39 0.00 -1.26 -4.99 105.19 102.03 2dn4 n GLY 52 Ca -0.05 -0.44 -0.13 0.00 0.00 0.00 0.00 46.02 45.40 2dn4 n GLY 52 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dn4 s ILE 53 N -2.53 -0.51 0.00 -0.61 1.01 -1.24 -5.08 121.20 112.23 2dn4 s ILE 53 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.13 2dn4 s ILE 53 Cb -0.00 -0.84 0.00 0.00 0.01 0.00 0.00 42.46 41.62 2dn4 s ILE 53 CO 0.00 -0.40 0.00 -0.81 0.00 0.00 0.00 174.94 173.73 2dn4 n PRO 54 N 4.98 0.63 -3.64 2.79 -0.04 -1.26 -4.36 135.00 134.10 2dn4 n PRO 54 Ca 0.03 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.12 2dn4 n PRO 54 Cb 0.48 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.87 2dn4 n PRO 54 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2dn4 s PHE 55 N -0.25 3.71 0.19 0.54 5.36 -1.26 -5.00 117.98 121.27 2dn4 s PHE 55 Ca 0.00 -2.83 0.02 0.00 -0.96 0.00 0.00 56.93 53.16 2dn4 s PHE 55 Cb 0.00 -3.29 -0.05 0.00 -0.34 0.00 0.00 43.02 39.35 2dn4 s PHE 55 CO 0.00 -0.80 0.03 1.03 -1.46 0.00 0.00 175.22 174.02 2dn4 s ARG 56 N -0.76 1.18 -0.12 10.12 1.81 -1.26 -5.01 118.95 124.91 2dn4 s ARG 56 Ca 0.23 -1.59 -0.37 0.00 -1.72 0.00 0.00 55.73 52.29 2dn4 s ARG 56 Cb -0.12 -0.24 -0.18 0.00 -0.45 0.00 0.00 34.95 33.96 2dn4 s ARG 56 CO -0.09 -0.18 1.06 0.54 -0.68 0.00 0.00 175.30 175.96 2dn4 n ARG 57 N -0.29 0.00 0.00 3.54 1.74 -1.26 -4.75 116.66 115.64 2dn4 n ARG 57 Ca -0.05 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.14 2dn4 n ARG 57 Cb 0.64 -1.31 0.62 0.00 -1.02 0.00 0.00 32.46 31.38 2dn4 n ARG 57 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2dn4 n PRO 58 N 1.92 0.75 -0.23 5.56 -0.04 -1.26 -2.32 135.00 139.38 2dn4 n PRO 58 Ca 0.20 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.76 2dn4 n PRO 58 Cb 0.04 -1.43 0.25 0.00 -0.04 0.00 0.00 33.50 32.32 2dn4 n PRO 58 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dn4 n SER 59 N -0.93 2.76 0.00 3.54 3.41 -1.26 -3.72 113.62 117.42 2dn4 n SER 59 Ca 0.16 -1.95 0.00 0.00 -0.26 0.00 0.00 58.87 56.81 2dn4 n SER 59 Cb 0.07 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 2dn4 n SER 59 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 2dn4 n THR 60 N 1.01 0.23 -3.23 6.66 5.66 -0.98 -5.07 114.28 118.56 2dn4 n THR 60 Ca 0.18 -0.37 -0.30 0.00 -3.05 0.00 0.00 64.05 60.51 2dn4 n THR 60 Cb 0.46 1.16 -0.04 0.00 -1.55 0.00 0.00 70.33 70.35 2dn4 n THR 60 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 2dn4 s TYR 61 N -0.23 3.45 0.78 1.09 2.02 -1.24 -5.08 117.35 118.14 2dn4 s TYR 61 Ca 0.00 0.84 -0.11 0.00 -0.37 0.00 0.00 57.07 57.43 2dn4 s TYR 61 Cb 0.00 -2.26 0.06 0.00 -0.40 0.00 0.00 41.96 39.36 2dn4 s TYR 61 CO 0.00 0.13 1.08 0.20 -1.57 0.00 0.00 175.55 175.39 2dn4 s GLY 62 N -2.88 1.64 0.21 0.71 0.00 -1.26 -4.77 107.32 100.97 2dn4 s GLY 62 Ca 0.47 -0.07 -0.10 0.00 0.00 0.00 0.00 44.72 45.02 2dn4 s GLY 62 CO 0.27 0.32 1.81 -2.22 0.00 0.00 0.00 173.10 173.27 2dn4 h ILE 63 N -1.03 0.97 -0.00 0.90 2.04 -1.99 0.36 117.51 118.75 2dn4 h ILE 63 Ca -0.46 -0.23 -0.16 0.00 1.00 0.00 0.00 64.86 65.01 2dn4 h ILE 63 Cb 1.25 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 2dn4 h ILE 63 CO 0.57 0.12 -0.76 1.55 0.00 0.00 0.00 178.15 179.63 2dn4 h PRO 64 N 0.67 0.05 -0.48 2.37 0.13 -2.00 -2.47 132.00 130.26 2dn4 h PRO 64 Ca 0.29 -0.05 -0.13 0.00 -0.87 0.00 0.00 66.00 65.25 2dn4 h PRO 64 Cb 0.18 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.31 2dn4 h PRO 64 CO -0.18 0.79 -0.20 0.00 -0.23 0.00 0.00 178.00 178.17 2dn4 h ARG 65 N 0.03 0.97 -0.13 0.86 3.08 -1.63 -2.76 114.38 114.80 2dn4 h ARG 65 Ca -0.01 -0.40 -0.03 0.00 0.07 0.00 0.00 59.98 59.60 2dn4 h ARG 65 Cb 1.35 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.35 2dn4 h ARG 65 CO 0.10 1.07 -0.04 -0.07 -1.07 0.00 0.00 179.97 179.97 2dn4 h LEU 66 N 0.84 0.25 -0.27 3.04 3.38 -0.30 -2.87 115.31 119.38 2dn4 h LEU 66 Ca 0.11 -0.38 0.03 0.00 0.09 0.00 0.00 57.88 57.73 2dn4 h LEU 66 Cb 0.77 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.40 2dn4 h LEU 66 CO 0.06 0.58 -0.34 -0.33 0.09 0.00 0.00 178.44 178.50 2dn4 h GLU 67 N -0.07 -0.22 -0.70 1.13 5.08 -1.37 -0.20 114.58 118.23 2dn4 h GLU 67 Ca 0.03 0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.53 2dn4 h GLU 67 Cb 0.47 0.05 -0.13 0.00 0.50 0.00 0.00 28.75 29.64 2dn4 h GLU 67 CO 0.01 -0.15 -0.29 0.00 -1.00 0.00 0.00 179.01 177.58 2dn4 h ARG 68 N -0.23 -0.09 -1.02 2.33 3.08 -1.54 1.54 114.38 118.45 2dn4 h ARG 68 Ca 0.05 0.01 0.27 0.00 0.07 0.00 0.00 59.98 60.38 2dn4 h ARG 68 Cb 0.36 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.36 2dn4 h ARG 68 CO -0.37 -0.06 0.70 0.82 -1.07 0.00 0.00 179.97 179.99 2dn4 h ILE 69 N -0.09 0.53 0.00 2.04 2.04 -0.94 1.55 117.51 122.64 2dn4 h ILE 69 Ca 0.29 -0.07 -0.22 0.00 1.00 0.00 0.00 64.86 65.86 2dn4 h ILE 69 Cb 0.56 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 2dn4 h ILE 69 CO -0.75 0.04 -1.10 -0.07 0.00 0.00 0.00 178.15 176.26 2dn4 h LEU 70 N 0.20 0.00 -0.33 1.44 3.38 0.36 -2.32 115.31 118.03 2dn4 h LEU 70 Ca 0.52 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.49 2dn4 h LEU 70 Cb 1.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.44 2dn4 h LEU 70 CO -0.13 0.97 -0.08 0.18 0.09 0.00 0.00 178.44 179.47 2dn4 n LEU 71 N -3.29 0.60 -0.24 1.67 4.77 0.43 -2.99 117.00 117.96 2dn4 n LEU 71 Ca -0.03 -0.10 0.04 0.00 -0.03 0.00 0.00 56.01 55.89 2dn4 n LEU 71 Cb 0.95 -0.12 0.02 0.00 -2.33 0.00 0.00 43.42 41.94 2dn4 n LEU 71 CO 0.46 0.11 0.29 0.00 -1.33 0.00 0.00 177.39 176.92 2dn4 n ALA 72 N -0.75 2.55 -0.32 -1.18 0.00 0.39 -4.60 120.51 116.60 2dn4 n ALA 72 Ca 0.17 -0.49 0.15 0.00 0.00 0.00 0.00 53.44 53.27 2dn4 n ALA 72 Cb 0.27 -0.24 0.34 0.00 0.00 0.00 0.00 19.45 19.81 2dn4 n ALA 72 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2dn4 h LYS 73 N 1.15 0.49 0.00 0.00 2.10 -1.31 1.99 116.57 120.99 2dn4 h LYS 73 Ca 0.00 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 2dn4 h LYS 73 Cb 0.27 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 31.49 2dn4 h LYS 73 CO 0.00 0.33 0.16 0.93 -2.00 0.00 0.00 179.45 178.87 2dn4 h GLU 74 N 0.51 0.00 0.00 0.07 4.39 -1.82 -1.85 114.58 115.88 2dn4 h GLU 74 Ca 0.59 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 60.13 2dn4 h GLU 74 Cb 1.10 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.72 2dn4 h GLU 74 CO -0.49 0.00 -1.62 0.54 -1.16 0.00 0.00 179.01 176.28 2dn4 n ARG 75 N -2.55 0.86 -1.35 2.33 5.12 0.59 -5.03 116.66 116.64 2dn4 n ARG 75 Ca -0.02 0.05 -0.46 0.00 -1.93 0.00 0.00 57.85 55.49 2dn4 n ARG 75 Cb 0.21 -1.22 -0.03 0.00 -1.16 0.00 0.00 32.46 30.26 2dn4 n ARG 75 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 2dn4 n ILE 76 N -2.70 1.87 -3.61 0.55 5.41 0.34 -3.95 119.36 117.28 2dn4 n ILE 76 Ca -0.18 -0.49 -0.16 0.00 1.00 0.00 0.00 62.75 62.92 2dn4 n ILE 76 Cb 0.73 0.00 -0.07 0.00 -0.71 0.00 0.00 39.64 39.59 2dn4 n ILE 76 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 2dn4 s ARG 77 N -0.97 0.89 -0.34 0.38 3.52 0.27 -4.80 118.95 117.90 2dn4 s ARG 77 Ca 0.62 0.42 -0.03 0.00 -0.13 0.00 0.00 55.73 56.61 2dn4 s ARG 77 Cb -0.89 0.42 0.06 0.00 -1.56 0.00 0.00 34.95 32.99 2dn4 s ARG 77 CO 0.55 -0.22 0.07 -0.06 -0.81 0.00 0.00 175.30 174.83 2dn4 s PHE 78 N -0.65 3.36 -0.26 5.12 0.40 -1.26 0.17 117.98 124.86 2dn4 s PHE 78 Ca -0.07 -1.96 -0.25 0.00 -0.60 0.00 0.00 56.93 54.05 2dn4 s PHE 78 Cb -0.02 -2.45 -0.00 0.00 0.51 0.00 0.00 43.02 41.05 2dn4 s PHE 78 CO 0.06 -0.84 0.83 0.08 0.70 0.00 0.00 175.22 176.05 2dn4 s VAL 79 N 1.24 4.81 -0.84 -0.44 1.01 -0.68 -4.80 120.40 120.71 2dn4 s VAL 79 Ca -0.01 1.50 0.01 0.00 0.00 0.00 0.00 61.98 63.48 2dn4 s VAL 79 Cb -0.21 -4.14 0.25 0.00 0.00 0.00 0.00 36.38 32.29 2dn4 s VAL 79 CO -0.01 -0.12 0.91 -0.38 0.00 0.00 0.00 175.10 175.49 2dn4 n ILE 80 N 5.34 3.22 0.23 2.22 2.08 -1.26 -2.76 119.36 128.43 2dn4 n ILE 80 Ca 0.05 -5.32 -0.15 0.00 0.56 0.00 0.00 62.75 57.90 2dn4 n ILE 80 Cb 0.48 -2.21 -0.08 0.00 -0.75 0.00 0.00 39.64 37.08 2dn4 n ILE 80 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 2dn4 h LYS 81 N 5.22 -0.52 -4.89 0.38 1.57 -1.82 -3.40 116.57 113.12 2dn4 h LYS 81 Ca 0.18 0.04 -0.66 0.00 -1.87 0.00 0.00 60.65 58.34 2dn4 h LYS 81 Cb 0.71 0.12 -0.24 0.00 0.08 0.00 0.00 32.23 32.90 2dn4 h LYS 81 CO 0.95 -0.30 -0.63 0.15 -0.57 0.00 0.00 179.45 179.04 2dn4 s LYS 82 N -5.80 3.41 -0.18 3.15 -0.14 -1.26 -4.97 119.74 113.96 2dn4 s LYS 82 Ca -0.16 -0.64 -0.20 0.00 -1.36 0.00 0.00 55.97 53.61 2dn4 s LYS 82 Cb 0.04 -3.33 -0.17 0.00 -1.68 0.00 0.00 37.83 32.69 2dn4 s LYS 82 CO 0.62 -0.29 0.28 0.45 -0.76 0.00 0.00 175.35 175.64 2dn4 h HIS 83 N 8.23 0.00 -0.87 3.18 3.86 -1.99 -3.37 115.15 124.20 2dn4 h HIS 83 Ca -0.36 0.00 0.22 0.00 -1.16 0.00 0.00 60.37 59.07 2dn4 h HIS 83 Cb 1.15 0.00 -0.13 0.00 1.06 0.00 0.00 27.41 29.49 2dn4 h HIS 83 CO 0.64 1.06 0.27 1.05 0.86 0.00 0.00 177.93 181.80 2dn4 h GLU 84 N -1.00 0.25 -1.57 2.45 4.11 -1.98 0.95 114.58 117.80 2dn4 h GLU 84 Ca -0.19 -0.01 0.46 0.00 0.07 0.00 0.00 59.36 59.68 2dn4 h GLU 84 Cb 1.03 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 30.15 2dn4 h GLU 84 CO -0.12 0.16 1.11 -0.07 0.07 0.00 0.00 179.01 180.17 2dn4 h LEU 85 N 0.26 0.05 0.65 3.06 3.38 -1.99 0.39 115.31 121.09 2dn4 h LEU 85 Ca 0.54 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.50 2dn4 h LEU 85 Cb 1.06 0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.84 2dn4 h LEU 85 CO -0.61 -0.02 -0.31 -0.07 0.09 0.00 0.00 178.44 177.52 2dn4 h LEU 86 N 0.03 -0.74 -2.67 1.67 3.38 0.76 -3.49 115.31 114.25 2dn4 h LEU 86 Ca 0.77 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.77 2dn4 h LEU 86 Cb 2.98 0.19 -0.04 0.00 0.09 0.00 0.00 40.66 43.88 2dn4 h LEU 86 CO -0.07 -0.37 -0.88 -3.20 0.09 0.00 0.00 178.44 174.01 2dn4 n ASN 87 N -5.24 -5.42 0.21 -0.43 2.85 0.14 -4.96 115.26 102.41 2dn4 n ASN 87 Ca -0.11 1.05 0.00 0.00 -0.11 0.00 0.00 54.58 55.41 2dn4 n ASN 87 Cb 0.34 -3.39 0.00 0.00 1.24 0.00 0.00 39.78 37.97 2dn4 n ASN 87 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 2dn4 n SER 88 N 1.66 -3.86 -4.49 1.20 2.88 -1.26 -5.03 113.62 104.73 2dn4 n SER 88 Ca -0.12 0.85 -0.40 0.00 -1.33 0.00 0.00 58.87 57.87 2dn4 n SER 88 Cb 0.30 3.62 -0.08 0.00 -0.75 0.00 0.00 64.21 67.30 2dn4 n SER 88 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2dn4 n THR 89 N -3.38 -0.25 -3.13 2.46 5.66 -1.26 -4.84 114.28 109.54 2dn4 n THR 89 Ca 0.00 -0.10 0.03 0.00 -3.05 0.00 0.00 64.05 60.92 2dn4 n THR 89 Cb 0.00 -0.65 -0.00 0.00 -1.55 0.00 0.00 70.33 68.13 2dn4 n THR 89 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 2dn4 s ARG 90 N -7.27 0.58 -0.32 1.09 1.81 -1.26 -5.09 118.95 108.49 2dn4 s ARG 90 Ca 0.66 0.07 -0.10 0.00 -1.72 0.00 0.00 55.73 54.65 2dn4 s ARG 90 Cb -0.39 0.13 0.19 0.00 -0.45 0.00 0.00 34.95 34.44 2dn4 s ARG 90 CO 1.02 -0.92 1.06 -2.00 -0.68 0.00 0.00 175.30 173.77 2dn4 s GLU 91 N 2.30 0.16 0.00 3.54 2.12 -1.26 -5.03 118.70 120.53 2dn4 s GLU 91 Ca 0.15 -0.05 0.00 0.00 0.36 0.00 0.00 54.97 55.43 2dn4 s GLU 91 Cb -0.05 0.02 0.00 0.00 0.26 0.00 0.00 34.13 34.36 2dn4 s GLU 91 CO -0.16 -0.23 0.00 -3.47 -0.54 0.00 0.00 175.26 170.86 2dn4 n ASP 92 N 3.70 0.00 -1.18 -1.70 -0.08 -1.26 -4.57 116.55 111.46 2dn4 n ASP 92 Ca 0.05 0.00 0.01 0.00 -1.51 0.00 0.00 54.79 53.35 2dn4 n ASP 92 Cb 0.63 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 44.09 2dn4 n ASP 92 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2dn4 n LEU 93 N 0.00 -1.23 -0.03 -2.67 4.32 -1.26 -4.84 117.00 111.29 2dn4 n LEU 93 Ca 0.00 2.13 -0.06 0.00 -0.02 0.00 0.00 56.01 58.06 2dn4 n LEU 93 Cb 0.00 -2.15 -0.05 0.00 -1.62 0.00 0.00 43.42 39.60 2dn4 n LEU 93 CO 0.00 -0.71 0.19 0.77 -1.22 0.00 0.00 177.39 176.43 2dn4 h SER 94 N 0.03 -0.05 -5.00 -1.43 4.64 -2.01 -3.51 113.55 106.21 2dn4 h SER 94 Ca -0.01 -0.36 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 2dn4 h SER 94 Cb 0.76 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 2dn4 h SER 94 CO 0.00 0.61 0.00 0.61 -0.87 0.00 0.00 176.83 177.18 2dn4 n GLY 95 N 1.47 2.31 3.80 -0.77 0.00 -1.26 -5.06 105.19 105.69 2dn4 n GLY 95 Ca -0.05 -1.75 -0.30 0.00 0.00 0.00 0.00 46.02 43.93 2dn4 n GLY 95 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dn4 s PRO 96 N -3.96 1.94 -1.06 1.61 0.04 -1.26 -4.99 135.00 127.31 2dn4 s PRO 96 Ca 0.00 0.60 -0.07 0.00 0.04 0.00 0.00 61.00 61.57 2dn4 s PRO 96 Cb 0.00 -1.91 0.27 0.00 0.04 0.00 0.00 34.50 32.90 2dn4 s PRO 96 CO 0.00 -1.71 1.08 0.45 0.04 0.00 0.00 177.00 176.86 2dn4 n SER 97 N -3.48 5.30 -4.07 6.66 2.88 -1.26 -4.99 113.62 114.66 2dn4 n SER 97 Ca 0.07 -3.10 -0.08 0.00 -1.33 0.00 0.00 58.87 54.44 2dn4 n SER 97 Cb 0.57 -1.29 -0.10 0.00 -0.75 0.00 0.00 64.21 62.63 2dn4 n SER 97 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dn4 s SER 98 N 0.67 0.46 0.00 -3.46 0.01 -1.26 -5.37 113.70 104.75 2dn4 s SER 98 Ca 0.30 -0.90 0.00 0.00 1.31 0.00 0.00 55.95 56.66 2dn4 s SER 98 Cb -0.08 0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.33 2dn4 s SER 98 CO -0.07 -0.54 0.00 0.61 0.41 0.00 0.00 173.24 173.65